| SpectraBase Spectrum ID |
3E5VtdQkDY |
| Name |
5-O-acetylsphaeropsidone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H10O5 |
| InChI |
InChI=1S/C9H10O5/c1-4(10)13-8-6(12-2)3-5(11)7-9(8)14-7/h3,7-9H,1-2H3/t7-,8+,9-/m1/s1 |
| InChIKey |
CRDSKLDJRWRBBE-HRDYMLBCSA-N |
| Instrument Name |
QP 5050 Shimadzu |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100837r |
| Molecular Weight |
198.174 g/mol |
| Optical Rotation |
[a]D25 = -20.7 (c = 0.2) |
| SMILES |
[C@]12([C@](C(=CC([C@]2(O1)[H])=O)OC)(OC(C)=O)[H])[H] |
| SPLASH |
splash10-0400-3900000000-29ace0a52f06d78c0386 |
| Source of Spectrum |
G4-74-761-5 |
| Wiley ID |
1849106 |
